SCHEMBL807516

SCHEMBL807516

CC(C)c1c(Cl)cc(C2CC2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.36
TLR8 Q9NR97 5/20 0.36
TLR7 Q9NYK1 5/20 0.36
SMURF2 Q9HAU4 1/20 0.34
SMURF1 Q9HCE7 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
SLC6A2 P23975 10/20 0.32
SLC6A4 P31645 10/20 0.32
SLC6A3 Q01959 10/20 0.32
CYP2D6 P10635 5/20 0.32
KCNH2 Q12809 4/20 0.32
GLP1R P43220 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21872210 0.90 SLC6A2 (0.39) TLR9TLR8TLR7CCNT1CDK9
SCHEMBL11981506 0.88 SLC6A2 (0.35) TLR9TLR8TLR7SMURF2SMURF1
SCHEMBL807534 0.81 CHRNB2 (0.44) TLR9TLR8TLR7SLC6A2SLC6A4
SCHEMBL21872041 0.78 APP (0.36) TLR9TLR8TLR7CCNT1CDK9
SCHEMBL15806349 0.76 SMURF2 (0.42) SMURF2SMURF1SLC6A2SLC6A4SLC6A3
SCHEMBL15516459 0.75 ALDH1A1 (0.43) SMURF2SMURF1SLC6A2SLC6A4SLC6A3
SCHEMBL15028917 0.75 SLC6A2 (0.38) TLR9TLR8TLR7SMURF2SMURF1
SCHEMBL21446938 0.74 S1PR3 (0.38) TLR9TLR8TLR7GLP1R
SCHEMBL21565686 0.73 HPGD (0.33)
SCHEMBL15517454 0.73 SLC6A2 (0.33) SMURF2SMURF1SLC6A2SLC6A4SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TLR9 757/4885TLR8 1186/4885TLR7 477/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TLR9 757/4885TLR8 1186/4885TLR7 477/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.